Esmirtazapine maleate

Base Information

• Chemical Name: Esmirtazapine maleate
• CAS No.: 680993-85-5
• Molecular Formula: C21H23N3O4
• Molecular Weight: 381.425
• European Community (EC) Number: 685-522-2
• UNII: I2U18E6JKA
• NCI Thesaurus Code: C76940
• ChEMBL ID: CHEMBL2107339
• Mol file: 680993-85-5.mol

Synonyms:(N-methyl-11C)mirtazapine;(S)-Mirtazapine;6 Azamianserin;6-azamianserin;esmirtazapine;mirtazapine;Norset;ORG 3770;Org 50081;ORG-3770;ORG3770;Remergil;Remeron;Rexer;Zispin

Chemical Property of Esmirtazapine maleate

Chemical Property:

• Vapor Pressure: 1.11E-07mmHg at 25°C
• Boiling Point: 432.4°C at 760 mmHg
• Flash Point: 215.3°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 381.16885622
• Heavy Atom Count: 28
• Complexity: 464

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CN1CCN2[C@H](C1)C3=CC=CC=C3CC4=C2N=CC=C4.C(=C\C(=O)O)\C(=O)O
• Recent ClinicalTrials: Fifty Two Week Extension Trial of Org 50081 (Esmirtazapine) in the Treatment of Insomnia (P05708)
• Recent EU Clinical Trials: A twenty-six weeks, open-label extension trial to evaluate safety and efficacy of Org 50081 in outpatients with chronic primary insomnia who completed clinical trial protocol 21106.

Technology Process of Esmirtazapine maleate

There total 1 articles about Esmirtazapine maleate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.0%

maleic acid (110-16-7,26099-09-2) + (+)-Mirtazapine (61337-87-9,61337-67-5,61364-37-2) → S-mirtazapine malonate (680993-85-5)

Guidance literature:

In ethanol; at 20 ℃;

upstream raw materials:

maleic acid

(+)-Mirtazapine

Refernces